1-[2-(dimethylamino)acetyl]pyrazolidin-3-one

C7H13N3O2 — CID 165460106

IUPAC1-[2-(dimethylamino)acetyl]pyrazolidin-3-one
SMILESCN(C)CC(=O)N1CCC(=O)N1
InChIInChI=1S/C7H13N3O2/c1-9(2)5-7(12)10-4-3-6(11)8-10/h3-5H2,1-2H3,(H,8,11)
InChIKeyRRLDXSJKQOSUFS-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.19
Rot. Bonds2

About 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one

1-[2-(dimethylamino)acetyl]pyrazolidin-3-one (PubChem CID 165460106) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)acetyl]pyrazolidin-3-one
PubChem CID165460106
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-[2-(dimethylamino)acetyl]pyrazolidin-3-one
SMILESCN(C)CC(=O)N1CCC(=O)N1
InChIInChI=1S/C7H13N3O2/c1-9(2)5-7(12)10-4-3-6(11)8-10/h3-5H2,1-2H3,(H,8,11)
InChIKeyRRLDXSJKQOSUFS-UHFFFAOYSA-N
XLogP-1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one?
The IUPAC name of 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one (CID 165460106) is 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one?
The canonical SMILES for 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one is CN(C)CC(=O)N1CCC(=O)N1.
What is the InChIKey of 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one?
The InChIKey is RRLDXSJKQOSUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-9(2)5-7(12)10-4-3-6(11)8-10/h3-5H2,1-2H3,(H,8,11).
What are the key properties of 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one?
1-[2-(dimethylamino)acetyl]pyrazolidin-3-one has a molecular weight of 171.20 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)acetyl]pyrazolidin-3-one is sourced from PubChem (CID 165460106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).